7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide

C23H23N5O3 — CID 146549989

IUPAC7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4ccoc34)cc2)nn1
InChIInChI=1S/C23H23N5O3/c1-28-14-21(26-27-28)16-4-2-15(3-5-16)12-17-13-20(25-19-8-11-31-22(17)19)23(29)24-18-6-9-30-10-7-18/h2-5,8,11,13-14,18H,6-7,9-10,12H2,1H3,(H,24,29)
InChIKeyDTECPVQHFSEDNQ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.12
Rot. Bonds5

About 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide

7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 146549989) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID146549989
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4ccoc34)cc2)nn1
InChIInChI=1S/C23H23N5O3/c1-28-14-21(26-27-28)16-4-2-15(3-5-16)12-17-13-20(25-19-8-11-31-22(17)19)23(29)24-18-6-9-30-10-7-18/h2-5,8,11,13-14,18H,6-7,9-10,12H2,1H3,(H,24,29)
InChIKeyDTECPVQHFSEDNQ-UHFFFAOYSA-N
XLogP3.12
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide (CID 146549989) is 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4ccoc34)cc2)nn1.
What is the InChIKey of 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is DTECPVQHFSEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-28-14-21(26-27-28)16-4-2-15(3-5-16)12-17-13-20(25-19-8-11-31-22(17)19)23(29)24-18-6-9-30-10-7-18/h2-5,8,11,13-14,18H,6-7,9-10,12H2,1H3,(H,24,29).
What are the key properties of 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 146549989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).